My Community

I am trying to use vaspsol for organic solvents and could use some help. Using 5.4.4a (without further patching) the water solvent examples appear to run ok (slight differences in energy from the examples). But with any solvent with low dielectric constant (2 to 3) the results appear to be unphysically small. I realize that there are a number of other parameters that might change (like the width of the double layer) but I can find no information on them.

Can anyone help me set up an successful surface run with an organic solvent?

Currently at the VASP team we are not able to provide support for VASPSol.
Perhaps you can try to ask your question on the VASPSol github page:
https://github.com/henniggroup/VASPsol

Kind regards,
Henrique Miranda